6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one

C17H17N7O — CID 11302099

IUPAC6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one
SMILESCCCc1c(Cn2ccnc2-c2cccc(=O)[nH]2)ncn2ncnc12
InChIInChI=1S/C17H17N7O/c1-2-4-12-14(20-11-24-16(12)19-10-21-24)9-23-8-7-18-17(23)13-5-3-6-15(25)22-13/h3,5-8,10-11H,2,4,9H2,1H3,(H,22,25)
InChIKeyQPIDDKKIADXBRK-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.68
Rot. Bonds5

About 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one

6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one (PubChem CID 11302099) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one
PubChem CID11302099
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one
SMILESCCCc1c(Cn2ccnc2-c2cccc(=O)[nH]2)ncn2ncnc12
InChIInChI=1S/C17H17N7O/c1-2-4-12-14(20-11-24-16(12)19-10-21-24)9-23-8-7-18-17(23)13-5-3-6-15(25)22-13/h3,5-8,10-11H,2,4,9H2,1H3,(H,22,25)
InChIKeyQPIDDKKIADXBRK-UHFFFAOYSA-N
XLogP1.68
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one (CID 11302099) is 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one is CCCc1c(Cn2ccnc2-c2cccc(=O)[nH]2)ncn2ncnc12.
What is the InChIKey of 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is QPIDDKKIADXBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-2-4-12-14(20-11-24-16(12)19-10-21-24)9-23-8-7-18-17(23)13-5-3-6-15(25)22-13/h3,5-8,10-11H,2,4,9H2,1H3,(H,22,25).
What are the key properties of 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one?
6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 335.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 11302099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).